Basic information
- Standard SMILES
C#CCNC(=O)c1cccc(F)c1Nc1nc(Cl)ncc1Cl- InChIKey
XYZRKQZBMVWQFT-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2FN4O
- Average molar mass
- 339.1 g/mol
Names & identifiers
- Preferred name
- 2-(2,5-Dichloro-pyrimidin-4-ylamino)-3-fluoro-N-prop-2-ynyl-benzamide
- IUPAC
- 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluoro-N-prop-2-ynylbenzamide
Names & synonyms
SCHEMBL2061117XYZRKQZBMVWQFT-UHFFFAOYSA-N2-(2,5-Dichloro-pyrimidin-4-ylamino)-3-fluoro-N-prop-2-ynyl-benzamide
Database identifiers
- PubChem CID
- 86633902
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Related reactions
57 records
Compound notes
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